#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jys s PRO 9 N 0.00 3.22 0.63 3.69 0.04 -1.26 -5.00 135.00 136.32 2jys s PRO 9 Ca 0.00 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 2jys s PRO 9 Cb 0.00 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2jys s PRO 9 CO 0.00 -0.94 0.96 -0.51 0.04 0.00 0.00 177.00 176.55 2jys s LEU 10 N -4.10 3.09 -0.03 -3.56 1.02 0.52 -4.77 118.68 110.85 2jys s LEU 10 Ca 0.71 0.73 -0.02 0.00 0.02 0.00 0.00 54.13 55.57 2jys s LEU 10 Cb -0.22 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 2jys s LEU 10 CO 0.31 -1.23 0.09 -1.61 0.02 0.00 0.00 176.35 173.94 2jys s GLU 11 N -5.11 3.16 -0.07 1.70 0.41 -1.26 0.89 118.70 118.41 2jys s GLU 11 Ca 0.56 -0.40 -0.25 0.00 -0.41 0.00 0.00 54.97 54.47 2jys s GLU 11 Cb -0.11 -2.93 0.06 0.00 -1.78 0.00 0.00 34.13 29.37 2jys s GLU 11 CO 0.46 0.68 0.57 0.00 -0.49 0.00 0.00 175.26 176.48 2jys s ALA 12 N -1.15 -1.46 -0.16 5.21 0.00 -0.79 -2.95 121.76 120.45 2jys s ALA 12 Ca 0.21 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.32 2jys s ALA 12 Cb -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2jys s ALA 12 CO 0.12 -0.33 -0.19 -2.00 0.00 0.00 0.00 175.76 173.36 2jys s GLU 13 N -0.94 2.84 -0.16 0.00 2.12 -0.44 -0.67 118.70 121.45 2jys s GLU 13 Ca -0.10 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 2jys s GLU 13 Cb -0.02 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 2jys s GLU 13 CO 0.07 -0.18 -0.08 0.42 -0.54 0.00 0.00 175.26 174.95 2jys s ILE 14 N 1.23 3.40 -1.44 -3.70 1.01 0.25 0.65 121.20 122.60 2jys s ILE 14 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2jys s ILE 14 Cb -0.13 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2jys s ILE 14 CO -0.10 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.62 2jys n LYS 15 N 3.81 -1.75 0.00 2.79 5.02 -1.10 0.90 118.16 127.83 2jys n LYS 15 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2jys n LYS 15 Cb 0.52 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 2jys n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jys n GLY 16 N -0.63 2.36 3.69 0.72 0.00 -1.26 -5.02 105.19 105.05 2jys n GLY 16 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -2.33 4.78 -0.32 2.61 2.01 0.26 -5.01 115.64 117.64 2jys s THR 17 Ca 0.00 2.03 -0.17 0.00 0.31 0.00 0.00 61.69 63.86 2jys s THR 17 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 2jys s THR 17 CO 0.00 0.03 0.47 -0.75 -0.69 0.00 0.00 174.62 173.67 2jys s LYS 18 N 1.87 3.77 0.19 4.92 2.20 -1.26 0.84 119.74 132.28 2jys s LYS 18 Ca 0.49 -0.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2jys s LYS 18 Cb -0.19 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 2jys s LYS 18 CO 0.19 -0.50 0.03 -0.51 -0.36 0.00 0.00 175.35 174.21 2jys s LEU 19 N 2.27 1.94 0.52 5.43 1.02 0.16 -4.99 118.68 125.03 2jys s LEU 19 Ca 0.18 -1.24 -0.16 0.00 0.02 0.00 0.00 54.13 52.93 2jys s LEU 19 Cb -0.16 -0.01 -0.07 0.00 0.02 0.00 0.00 46.19 45.97 2jys s LEU 19 CO 0.12 -0.63 0.98 -0.54 0.02 0.00 0.00 176.35 176.30 2jys s LYS 20 N -3.96 3.91 0.10 1.70 -0.14 -1.26 -1.89 119.74 118.19 2jys s LYS 20 Ca 0.28 0.91 -0.02 0.00 -1.36 0.00 0.00 55.97 55.78 2jys s LYS 20 Cb 0.07 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 2jys s LYS 20 CO 0.07 -0.29 0.06 0.00 -0.76 0.00 0.00 175.35 174.43 2jys s ALA 21 N -2.67 0.57 -0.03 5.17 0.00 0.26 -3.17 121.76 121.89 2jys s ALA 21 Ca 0.58 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2jys s ALA 21 Cb -0.10 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 2jys s ALA 21 CO 0.34 -0.46 -0.18 -1.01 0.00 0.00 0.00 175.76 174.44 2jys s HIS 22 N -3.98 1.76 -0.12 0.00 3.76 0.13 0.20 115.29 117.03 2jys s HIS 22 Ca 0.16 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.37 2jys s HIS 22 Cb 0.07 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.57 2jys s HIS 22 CO -0.04 -0.12 0.76 -0.46 -0.85 0.00 0.00 174.74 174.03 2jys s TRP 23 N -0.13 3.50 -0.30 1.40 -0.00 -1.26 0.17 118.94 122.31 2jys s TRP 23 Ca -0.00 1.24 -0.01 0.00 -0.00 0.00 0.00 56.10 57.33 2jys s TRP 23 Cb -0.10 -2.91 0.10 0.00 -0.00 0.00 0.00 33.47 30.56 2jys s TRP 23 CO 0.01 -0.08 0.10 0.34 -0.00 0.00 0.00 176.95 177.32 2jys s ASP 24 N 1.00 3.88 0.49 5.86 2.15 -1.04 -4.89 116.67 124.12 2jys s ASP 24 Ca 0.38 -1.52 0.17 0.00 0.43 0.00 0.00 52.55 52.00 2jys s ASP 24 Cb -0.17 -0.75 1.18 0.00 -0.30 0.00 0.00 42.92 42.87 2jys s ASP 24 CO 0.16 -0.41 2.07 0.77 -0.17 0.00 0.00 175.17 177.58 2jys h SER 25 N 8.16 0.00 -0.52 -0.34 4.64 -1.96 -1.67 113.55 121.87 2jys h SER 25 Ca -0.15 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.25 2jys h SER 25 Cb 1.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2jys h SER 25 CO 0.46 0.11 0.35 1.23 -0.87 0.00 0.00 176.83 178.11 2jys h GLY 26 N 0.37 0.50 -3.75 -0.77 0.00 -1.96 -3.41 103.07 94.05 2jys h GLY 26 Ca -0.00 -0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.67 2jys h GLY 26 CO 0.01 0.11 0.48 0.00 0.00 0.00 0.00 176.54 177.15 2jys s ALA 27 N -5.36 3.39 -1.91 3.60 0.00 -0.63 -4.93 121.76 115.92 2jys s ALA 27 Ca -0.07 0.91 0.22 0.00 0.00 0.00 0.00 51.96 53.02 2jys s ALA 27 Cb 0.19 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2jys s ALA 27 CO 0.74 -0.20 1.06 2.41 0.00 0.00 0.00 175.76 179.76 2jys n THR 28 N 1.09 0.00 -3.82 0.00 -1.04 -1.26 -4.33 114.28 104.91 2jys n THR 28 Ca -0.01 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 2jys n THR 28 Cb 0.45 1.23 -0.09 0.00 -1.82 0.00 0.00 70.33 70.10 2jys n THR 28 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jys s ILE 29 N -2.49 0.07 0.62 12.58 2.07 -1.26 -4.79 121.20 128.00 2jys s ILE 29 Ca 0.17 -0.56 -0.18 0.00 -1.41 0.00 0.00 60.65 58.67 2jys s ILE 29 Cb 0.18 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 2jys s ILE 29 CO 0.59 -0.31 0.74 0.41 -1.91 0.00 0.00 174.94 174.46 2jys n THR 30 N 1.48 2.87 -4.70 4.00 -1.04 -1.24 -4.56 114.28 111.10 2jys n THR 30 Ca -0.22 -0.48 -0.24 0.00 -2.04 0.00 0.00 64.05 61.08 2jys n THR 30 Cb 0.56 -0.91 -0.16 0.00 -1.82 0.00 0.00 70.33 68.00 2jys n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jys s VAL 32 N -0.06 0.23 0.08 0.00 1.01 0.14 -1.70 120.40 120.09 2jys s VAL 32 Ca -0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2jys s VAL 32 Cb -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2jys s VAL 32 CO 0.01 -0.33 1.05 -2.16 0.00 0.00 0.00 175.10 173.67 2jys s PRO 33 N -1.13 4.57 0.58 2.72 0.04 -1.26 -1.11 135.00 139.41 2jys s PRO 33 Ca -0.10 1.57 0.38 0.00 0.04 0.00 0.00 61.00 62.89 2jys s PRO 33 Cb -0.08 -3.38 1.36 0.00 0.04 0.00 0.00 34.50 32.45 2jys s PRO 33 CO -0.00 -0.02 1.51 1.49 0.04 0.00 0.00 177.00 180.02 2jys h GLU 34 N 6.18 0.00 -0.52 4.56 4.81 -1.80 0.67 114.58 128.48 2jys h GLU 34 Ca -0.42 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.96 2jys h GLU 34 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2jys h GLU 34 CO 0.75 0.00 0.70 0.00 -0.73 0.00 0.00 179.01 179.73 2jys h ALA 35 N 0.88 2.27 -0.00 2.92 0.00 -1.90 1.79 119.26 125.22 2jys h ALA 35 Ca 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2jys h ALA 35 Cb 3.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.91 2jys h ALA 35 CO -0.01 -0.97 -0.80 1.19 0.00 0.00 0.00 179.25 178.67 2jys n PHE 36 N -3.40 0.00 -0.17 0.00 3.72 0.23 -4.05 117.46 113.79 2jys n PHE 36 Ca 0.11 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.58 2jys n PHE 36 Cb 0.89 -0.07 0.19 0.00 -0.94 0.00 0.00 39.48 39.55 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jys n LEU 37 N -1.34 3.14 -0.24 4.37 7.99 0.60 -4.52 117.00 126.99 2jys n LEU 37 Ca 0.05 -1.93 0.02 0.00 -0.01 0.00 0.00 56.01 54.14 2jys n LEU 37 Cb 0.34 -0.28 0.25 0.00 -0.11 0.00 0.00 43.42 43.62 2jys n LEU 37 CO 0.39 0.77 1.24 -0.08 -1.51 0.00 0.00 177.39 178.21 2jys h GLU 38 N 2.67 0.99 -0.27 3.23 4.57 -1.33 -2.16 114.58 122.29 2jys h GLU 38 Ca 0.00 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 2jys h GLU 38 Cb 0.79 -0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 2jys h GLU 38 CO 0.00 0.66 -0.10 -0.25 -1.18 0.00 0.00 179.01 178.13 2jys n ASP 39 N -4.44 2.63 -2.03 1.04 8.00 -1.26 -5.01 116.55 115.49 2jys n ASP 39 Ca 0.10 -3.61 -0.00 0.00 0.71 0.00 0.00 54.79 51.99 2jys n ASP 39 Cb 0.08 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2jys n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jys n GLU 40 N -1.04 1.85 -3.73 -1.24 -0.58 -0.81 -5.16 120.64 109.93 2jys n GLU 40 Ca 0.28 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.87 2jys n GLU 40 Cb 0.95 0.01 -0.12 0.00 -0.57 0.00 0.00 31.44 31.70 2jys n GLU 40 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jys s ARG 41 N -2.02 0.28 -0.01 3.49 0.52 -1.26 -5.01 118.95 114.93 2jys s ARG 41 Ca 0.00 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 2jys s ARG 41 Cb -0.00 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.38 2jys s ARG 41 CO 0.00 -0.14 1.40 -1.25 0.02 0.00 0.00 175.30 175.33 2jys s PRO 42 N 1.07 4.28 0.15 3.54 0.04 -1.26 -4.61 135.00 138.22 2jys s PRO 42 Ca -0.07 1.95 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2jys s PRO 42 Cb -0.08 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2jys s PRO 42 CO -0.08 -0.59 1.35 -0.84 0.04 0.00 0.00 177.00 176.89 2jys h ILE 43 N 4.96 1.51 -4.19 0.56 3.07 -1.84 -3.47 117.51 118.10 2jys h ILE 43 Ca -0.37 -2.70 -0.23 0.00 1.55 0.00 0.00 64.86 63.11 2jys h ILE 43 Cb 1.18 2.52 -0.11 0.00 -0.27 0.00 0.00 36.82 40.14 2jys h ILE 43 CO 0.91 0.79 -0.31 -1.10 -1.05 0.00 0.00 178.15 177.38 2jys s GLN 44 N -3.13 1.61 0.28 0.16 -0.21 -1.25 -5.04 119.66 112.07 2jys s GLN 44 Ca -0.03 -1.61 0.12 0.00 0.02 0.00 0.00 55.36 53.86 2jys s GLN 44 Cb 0.10 0.39 -0.05 0.00 1.00 0.00 0.00 33.01 34.45 2jys s GLN 44 CO 0.83 -0.63 -0.20 0.95 -2.12 0.00 0.00 175.29 174.12 2jys s THR 45 N -3.65 2.49 0.00 -0.19 -4.23 -1.26 -0.25 115.64 108.56 2jys s THR 45 Ca 0.32 -2.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2jys s THR 45 Cb 0.02 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 2jys s THR 45 CO 0.16 -0.39 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.46 2jys s MET 46 N -3.48 0.55 -0.08 3.99 1.75 0.73 -4.80 119.30 117.95 2jys s MET 46 Ca 0.30 -0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 54.22 2jys s MET 46 Cb -0.05 -0.50 -0.05 0.00 2.84 0.00 0.00 34.83 37.07 2jys s MET 46 CO 0.15 0.13 0.47 -0.51 -0.65 0.00 0.00 175.02 174.61 2jys s LEU 47 N -0.41 4.33 -0.08 4.11 1.02 -1.26 -1.31 118.68 125.08 2jys s LEU 47 Ca 0.01 0.87 0.05 0.00 0.02 0.00 0.00 54.13 55.07 2jys s LEU 47 Cb -0.04 -2.68 -0.01 0.00 0.02 0.00 0.00 46.19 43.49 2jys s LEU 47 CO -0.00 0.09 -0.24 -0.63 0.02 0.00 0.00 176.35 175.58 2jys s ILE 48 N 0.17 2.02 -0.11 -0.59 1.01 0.16 -4.94 121.20 118.91 2jys s ILE 48 Ca 0.25 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2jys s ILE 48 Cb -0.16 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2jys s ILE 48 CO 0.11 0.56 -0.21 -0.75 0.00 0.00 0.00 174.94 174.65 2jys s LYS 49 N 0.08 3.15 0.50 2.79 2.20 -1.26 0.84 119.74 128.04 2jys s LYS 49 Ca -0.11 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.70 2jys s LYS 49 Cb -0.16 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 2jys s LYS 49 CO 0.06 0.18 0.04 0.95 -0.36 0.00 0.00 175.35 176.23 2jys s THR 50 N 0.37 0.87 -0.01 3.43 -4.23 0.14 -4.94 115.64 111.26 2jys s THR 50 Ca -0.16 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.10 2jys s THR 50 Cb -0.17 -2.10 -0.19 0.00 1.34 0.00 0.00 72.50 71.37 2jys s THR 50 CO 0.08 0.00 1.27 0.40 -0.54 0.00 0.00 174.62 175.83 2jys h ILE 51 N 1.41 1.39 -0.83 2.99 2.04 -2.03 -3.15 117.51 119.32 2jys h ILE 51 Ca -0.41 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.32 2jys h ILE 51 Cb 1.31 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.46 2jys h ILE 51 CO 0.67 0.32 0.51 0.45 0.00 0.00 0.00 178.15 180.10 2jys h HIS 52 N -0.40 0.94 -1.02 1.37 3.86 -2.04 -3.47 115.15 114.38 2jys h HIS 52 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2jys h HIS 52 Cb 0.53 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2jys h HIS 52 CO 0.10 0.47 0.00 0.41 0.86 0.00 0.00 177.93 179.76 2jys n GLY 53 N -1.32 0.53 3.54 2.45 0.00 -1.19 -5.14 105.19 104.04 2jys n GLY 53 Ca 0.12 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2jys n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jys s GLU 54 N -1.85 3.35 0.10 1.61 2.12 -1.26 0.25 118.70 123.01 2jys s GLU 54 Ca 0.00 -0.52 0.07 0.00 0.36 0.00 0.00 54.97 54.88 2jys s GLU 54 Cb 0.00 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2jys s GLU 54 CO 0.00 0.40 -0.18 0.15 -0.54 0.00 0.00 175.26 175.10 2jys s LYS 55 N -0.08 1.01 -0.02 4.30 1.02 0.25 -4.93 119.74 121.28 2jys s LYS 55 Ca 0.02 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 54.95 2jys s LYS 55 Cb -0.13 -1.13 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 2jys s LYS 55 CO 0.03 0.25 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.92 2jys s GLN 56 N -1.95 2.39 0.24 1.68 -0.21 -1.26 0.38 119.66 120.93 2jys s GLN 56 Ca 0.04 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.66 2jys s GLN 56 Cb -0.09 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 2jys s GLN 56 CO 0.03 0.60 0.06 -0.65 -2.12 0.00 0.00 175.29 173.21 2jys s GLN 57 N -1.04 1.34 0.10 2.91 -0.21 -0.43 -4.92 119.66 117.41 2jys s GLN 57 Ca 0.13 -1.70 0.04 0.00 0.02 0.00 0.00 55.36 53.85 2jys s GLN 57 Cb -0.11 -0.32 -0.04 0.00 1.00 0.00 0.00 33.01 33.54 2jys s GLN 57 CO 0.03 -0.23 0.05 -0.51 -2.12 0.00 0.00 175.29 172.51 2jys s ASP 58 N -3.28 5.28 0.10 5.90 1.01 -1.26 -0.19 116.67 124.22 2jys s ASP 58 Ca 0.33 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.50 2jys s ASP 58 Cb 0.07 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 2jys s ASP 58 CO 0.11 0.16 0.22 0.68 0.21 0.00 0.00 175.17 176.54 2jys s VAL 59 N -1.40 5.21 -0.09 -1.27 -7.23 0.66 -3.75 120.40 112.52 2jys s VAL 59 Ca 0.28 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2jys s VAL 59 Cb -0.12 -3.59 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2jys s VAL 59 CO 0.20 0.04 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.66 2jys s TYR 60 N -1.59 1.26 -0.46 2.82 1.51 0.33 -2.34 117.35 118.88 2jys s TYR 60 Ca 0.34 -0.55 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 2jys s TYR 60 Cb -0.12 -1.07 0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2jys s TYR 60 CO 0.27 -0.41 0.92 -0.47 -1.11 0.00 0.00 175.55 174.75 2jys s TYR 61 N 1.50 2.93 0.37 2.71 6.14 -1.26 0.57 117.35 130.31 2jys s TYR 61 Ca 0.00 0.37 0.05 0.00 0.64 0.00 0.00 57.07 58.13 2jys s TYR 61 Cb -0.13 -3.96 -0.06 0.00 0.42 0.00 0.00 41.96 38.23 2jys s TYR 61 CO -0.05 -1.09 0.04 -0.51 0.64 0.00 0.00 175.55 174.58 2jys s LEU 62 N 3.73 2.40 -0.21 6.97 1.43 -0.82 -4.94 118.68 127.25 2jys s LEU 62 Ca 0.37 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2jys s LEU 62 Cb -0.10 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.57 2jys s LEU 62 CO 0.26 -0.59 -0.12 -0.89 0.23 0.00 0.00 176.35 175.24 2jys s THR 63 N -3.08 2.70 0.06 5.49 2.01 -1.26 -2.00 115.64 119.57 2jys s THR 63 Ca 0.33 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.58 2jys s THR 63 Cb 0.08 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2jys s THR 63 CO 0.16 0.45 -0.07 0.72 -0.69 0.00 0.00 174.62 175.18 2jys s PHE 64 N 1.37 0.75 -0.15 4.92 -0.71 -0.63 -2.71 117.98 120.82 2jys s PHE 64 Ca 0.05 -0.68 -0.19 0.00 -1.04 0.00 0.00 56.93 55.06 2jys s PHE 64 Cb -0.14 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 2jys s PHE 64 CO -0.08 -0.12 0.54 0.15 -1.34 0.00 0.00 175.22 174.38 2jys s LYS 65 N -2.53 4.28 -0.51 1.99 1.02 0.21 -1.19 119.74 123.01 2jys s LYS 65 Ca -0.01 0.52 -0.14 0.00 0.02 0.00 0.00 55.97 56.36 2jys s LYS 65 Cb -0.03 -3.50 0.11 0.00 -0.52 0.00 0.00 37.83 33.89 2jys s LYS 65 CO -0.02 -0.02 0.44 0.08 -0.92 0.00 0.00 175.35 174.91 2jys s VAL 66 N 1.19 5.00 -1.42 3.17 1.01 0.30 -1.33 120.40 128.31 2jys s VAL 66 Ca 0.27 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 2jys s VAL 66 Cb -0.16 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2jys s VAL 66 CO 0.11 -0.76 0.32 0.00 0.00 0.00 0.00 175.10 174.77 2jys n GLN 67 N 5.16 -3.14 -0.90 2.72 6.02 -1.15 -1.99 117.38 124.11 2jys n GLN 67 Ca -0.12 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 2jys n GLN 67 Cb 0.41 -5.38 0.00 0.00 1.02 0.00 0.00 30.24 26.29 2jys n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jys n GLY 68 N -1.26 0.81 2.97 1.08 0.00 -1.26 -5.06 105.19 102.47 2jys n GLY 68 Ca -0.14 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2jys n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jys s ARG 69 N -1.99 1.96 -0.13 1.61 0.52 -0.84 -5.09 118.95 114.99 2jys s ARG 69 Ca 0.00 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 2jys s ARG 69 Cb 0.00 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 2jys s ARG 69 CO 0.00 -0.25 1.71 0.21 0.02 0.00 0.00 175.30 176.99 2jys s LYS 70 N 1.58 3.93 -0.03 3.54 2.20 -1.26 0.11 119.74 129.80 2jys s LYS 70 Ca 0.05 1.99 -0.01 0.00 -0.36 0.00 0.00 55.97 57.64 2jys s LYS 70 Cb -0.13 -4.05 0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2jys s LYS 70 CO -0.10 -1.15 0.07 0.08 -0.36 0.00 0.00 175.35 173.89 2jys s VAL 71 N 4.91 -0.05 -0.10 4.02 1.01 -0.34 -4.91 120.40 124.95 2jys s VAL 71 Ca 0.76 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jys s VAL 71 Cb -0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2jys s VAL 71 CO 0.31 0.08 -0.09 -1.61 0.00 0.00 0.00 175.10 173.78 2jys s GLU 72 N 1.02 3.05 0.23 2.72 2.02 -1.26 -1.60 118.70 124.87 2jys s GLU 72 Ca -0.08 -0.60 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 2jys s GLU 72 Cb -0.11 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.53 2jys s GLU 72 CO -0.04 0.46 0.69 0.00 0.02 0.00 0.00 175.26 176.39 2jys s ALA 73 N -0.27 -1.38 0.14 5.21 0.00 -0.85 -4.98 121.76 119.62 2jys s ALA 73 Ca 0.03 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2jys s ALA 73 Cb -0.13 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 2jys s ALA 73 CO 0.03 -0.94 0.93 -1.21 0.00 0.00 0.00 175.76 174.57 2jys s GLU 74 N -3.82 4.71 0.05 0.00 2.02 -1.26 -1.94 118.70 118.47 2jys s GLU 74 Ca 0.07 1.41 0.08 0.00 0.02 0.00 0.00 54.97 56.55 2jys s GLU 74 Cb -0.04 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2jys s GLU 74 CO -0.01 0.31 -0.22 0.14 0.02 0.00 0.00 175.26 175.49 2jys s VAL 75 N -0.32 1.82 0.12 2.63 -7.23 0.19 -3.60 120.40 114.02 2jys s VAL 75 Ca 0.44 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 2jys s VAL 75 Cb -0.24 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.05 2jys s VAL 75 CO 0.29 0.21 0.53 -0.76 -0.31 0.00 0.00 175.10 175.07 2jys s LEU 76 N -1.32 4.38 0.14 1.32 1.43 -0.87 -0.51 118.68 123.25 2jys s LEU 76 Ca 0.09 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 2jys s LEU 76 Cb -0.09 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.91 2jys s LEU 76 CO 0.02 0.15 0.98 0.00 0.23 0.00 0.00 176.35 177.73 2jys s ALA 77 N -1.38 3.28 0.01 4.21 0.00 -1.21 0.27 121.76 126.93 2jys s ALA 77 Ca 0.35 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 2jys s ALA 77 Cb -0.16 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2jys s ALA 77 CO 0.19 -0.02 0.11 0.45 0.00 0.00 0.00 175.76 176.49 2jys s SER 78 N -0.20 0.08 0.00 0.00 0.15 -0.27 -4.75 113.70 108.70 2jys s SER 78 Ca 0.46 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.91 2jys s SER 78 Cb -0.25 0.19 0.48 0.00 -1.71 0.00 0.00 66.02 64.73 2jys s SER 78 CO 0.31 -0.37 1.01 -0.81 1.20 0.00 0.00 173.24 174.57 2jys n PRO 79 N 1.40 0.62 -1.29 5.44 -0.04 -1.26 -2.62 135.00 137.24 2jys n PRO 79 Ca -0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 2jys n PRO 79 Cb 0.56 -1.20 0.15 0.00 -0.04 0.00 0.00 33.50 32.96 2jys n PRO 79 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2jys s TYR 80 N -2.00 2.34 -0.50 0.54 2.02 -1.26 -4.96 117.35 113.53 2jys s TYR 80 Ca 0.12 1.07 0.15 0.00 -0.37 0.00 0.00 57.07 58.05 2jys s TYR 80 Cb 0.05 -3.23 0.56 0.00 -0.40 0.00 0.00 41.96 38.94 2jys s TYR 80 CO 0.09 -2.50 1.47 -0.25 -1.57 0.00 0.00 175.55 172.79 2jys n ASP 81 N -3.91 4.09 -0.40 2.29 8.00 -1.26 -4.70 116.55 120.65 2jys n ASP 81 Ca 0.06 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.86 2jys n ASP 81 Cb 0.57 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jys n TYR 82 N 0.12 0.00 -4.28 1.24 4.11 -1.26 -4.99 117.16 112.10 2jys n TYR 82 Ca 0.21 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.91 2jys n TYR 82 Cb 0.84 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 40.07 2jys n TYR 82 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2jys s ILE 83 N -1.12 1.55 -0.09 -3.48 1.01 -1.19 -4.02 121.20 113.86 2jys s ILE 83 Ca 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 60.65 58.87 2jys s ILE 83 Cb 0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2jys s ILE 83 CO 0.00 -0.37 -0.19 -0.76 0.00 0.00 0.00 174.94 173.61 2jys s LEU 84 N -2.55 2.38 -0.25 2.97 1.43 -0.69 0.19 118.68 122.16 2jys s LEU 84 Ca 0.12 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2jys s LEU 84 Cb -0.05 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2jys s LEU 84 CO 0.05 0.21 0.26 -0.76 0.23 0.00 0.00 176.35 176.34 2jys s LEU 85 N 0.06 4.08 0.29 1.79 2.01 0.13 -2.29 118.68 124.74 2jys s LEU 85 Ca -0.08 0.20 -0.28 0.00 0.01 0.00 0.00 54.13 53.98 2jys s LEU 85 Cb -0.15 -2.26 -0.09 0.00 0.01 0.00 0.00 46.19 43.69 2jys s LEU 85 CO 0.05 -0.05 0.95 0.21 1.01 0.00 0.00 176.35 178.52 2jys s ASN 86 N 1.39 7.45 0.51 2.29 2.47 -1.26 -2.48 114.94 125.30 2jys s ASN 86 Ca 0.11 1.91 0.29 0.00 0.42 0.00 0.00 52.86 55.59 2jys s ASN 86 Cb -0.15 -2.60 1.35 0.00 -1.45 0.00 0.00 41.25 38.40 2jys s ASN 86 CO 0.08 0.01 2.01 1.55 -3.72 0.00 0.00 177.10 177.03 2jys h PRO 87 N 3.59 0.00 0.10 0.43 0.13 -1.76 -2.45 132.00 132.05 2jys h PRO 87 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 2jys h PRO 87 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jys h PRO 87 CO 0.66 0.13 -1.21 0.66 -0.23 0.00 0.00 178.00 178.01 2jys h SER 88 N 0.00 0.32 0.82 1.44 4.64 -1.87 -3.26 113.55 115.65 2jys h SER 88 Ca -0.00 -0.35 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 2jys h SER 88 Cb 0.46 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2jys h SER 88 CO 0.02 1.28 -0.66 -2.24 -0.87 0.00 0.00 176.83 174.36 2jys h ASP 89 N 0.06 0.00 -2.88 4.97 3.04 -1.85 -3.36 116.42 116.40 2jys h ASP 89 Ca -0.12 0.00 -0.61 0.00 -3.24 0.00 0.00 57.03 53.06 2jys h ASP 89 Cb 1.93 0.00 -0.42 0.00 -1.04 0.00 0.00 39.33 39.81 2jys h ASP 89 CO 0.18 0.66 -0.62 1.33 -2.04 0.00 0.00 179.24 178.75 2jys n VAL 90 N -3.60 1.42 0.22 4.15 0.24 -0.95 -4.90 118.33 114.93 2jys n VAL 90 Ca -0.00 -4.76 0.10 0.00 -2.04 0.00 0.00 64.34 57.64 2jys n VAL 90 Cb 0.68 -2.12 0.46 0.00 -1.47 0.00 0.00 33.84 31.40 2jys n VAL 90 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jys h PRO 91 N 5.23 0.00 0.03 7.34 0.13 -1.72 -3.07 132.00 139.94 2jys h PRO 91 Ca 0.17 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 2jys h PRO 91 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2jys h PRO 91 CO 0.70 0.21 -0.97 0.11 -0.23 0.00 0.00 178.00 177.81 2jys h TRP 92 N 0.00 0.32 -0.59 1.56 0.09 -1.90 -3.16 115.95 112.27 2jys h TRP 92 Ca -0.00 -0.19 0.13 0.00 0.09 0.00 0.00 58.89 58.92 2jys h TRP 92 Cb 0.74 -0.03 -0.03 0.00 0.08 0.00 0.00 29.16 29.92 2jys h TRP 92 CO 0.00 1.05 0.41 1.25 0.09 0.00 0.00 178.44 181.24 2jys h LEU 93 N 0.10 0.19 -9.13 0.11 5.85 -1.93 -3.38 115.31 107.12 2jys h LEU 93 Ca -0.06 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.08 2jys h LEU 93 Cb 1.64 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 2jys h LEU 93 CO 0.15 0.10 0.41 -0.04 -0.34 0.00 0.00 178.44 178.73 2jys s MET 94 N -5.21 4.26 0.34 1.25 -1.94 -1.20 -4.92 119.30 111.89 2jys s MET 94 Ca -0.06 0.99 0.04 0.00 -1.71 0.00 0.00 55.69 54.95 2jys s MET 94 Cb 0.20 -3.59 0.67 0.00 2.01 0.00 0.00 34.83 34.12 2jys s MET 94 CO 0.74 -0.38 1.95 0.87 -0.01 0.00 0.00 175.02 178.19 2jys h LYS 95 N 7.43 0.82 -6.54 2.03 1.57 -1.87 -3.41 116.57 116.60 2jys h LYS 95 Ca -0.27 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 2jys h LYS 95 Cb 1.12 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 33.28 2jys h LYS 95 CO 0.85 0.54 0.87 -1.59 -0.57 0.00 0.00 179.45 179.54 2jys s LYS 96 N -5.74 4.24 0.48 3.15 -2.85 -1.26 -4.97 119.74 112.79 2jys s LYS 96 Ca -0.10 2.26 -0.22 0.00 -1.00 0.00 0.00 55.97 56.90 2jys s LYS 96 Cb 0.19 -3.31 -0.07 0.00 -2.06 0.00 0.00 37.83 32.59 2jys s LYS 96 CO 0.78 -0.59 1.16 -1.25 0.10 0.00 0.00 175.35 175.55 2jys s PRO 97 N 1.55 3.68 0.00 1.78 0.04 -1.26 -5.00 135.00 135.79 2jys s PRO 97 Ca 0.69 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.50 2jys s PRO 97 Cb -0.40 -2.33 0.12 0.00 0.04 0.00 0.00 34.50 31.92 2jys s PRO 97 CO 0.31 -0.61 0.61 1.28 0.04 0.00 0.00 177.00 178.62